(3R)-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-pyrimidin-5-ylcarbonyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-pyrimidin-5-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxo-3-piperidyl]-4-(pyrimidine-5-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(5-pyrimidinyl)methyl]piperazine-1,3-dicarboxamide IUPAC Name: (3R)-1-N-(3-methoxyphenyl)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(3S)-2-keto-3-piperidyl]-N-(3-methoxyphenyl)-4-(pyrimidine-5-carbonyl)piperazine-1,3-dicarboxamide Formula: C23H27N7O5 MolecularWeight: 481.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)C4=CN=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCN([C@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4=CN=CN=C4

InChI

InChI=1S/C23H27N7O5/c1-35-17-5-2-4-16(10-17)27-23(34)29-8-9-30(22(33)15-11-24-14-25-12-15)19(13-29)21(32)28-18-6-3-7-26-20(18)31/h2,4-5,10-12,14,18-19H,3,6-9,13H2,1H3,(H,26,31)(H,27,34)(H,28,32)/t18-,19+/m0/s1